#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n LEU 2 N 0.00 -5.38 0.32 3.17 -0.00 -1.26 -4.94 117.00 108.91 2wdg n LEU 2 Ca 0.00 1.85 -0.13 0.00 -0.00 0.00 0.00 56.01 57.74 2wdg n LEU 2 Cb 0.00 -2.61 -0.06 0.00 -0.00 0.00 0.00 43.42 40.75 2wdg n LEU 2 CO 0.00 -3.45 0.47 0.71 -0.00 0.00 0.00 177.39 175.13 2wdg h THR 3 N 4.47 0.00 -3.22 1.96 1.35 -2.07 -3.44 112.91 111.96 2wdg h THR 3 Ca -0.31 -0.07 -0.67 0.00 -0.55 0.00 0.00 66.41 64.81 2wdg h THR 3 Cb 0.70 0.00 -0.33 0.00 -1.73 0.00 0.00 68.15 66.79 2wdg h THR 3 CO 0.01 0.00 -0.84 -0.62 -0.25 0.00 0.00 175.52 173.82 2wdg s ASP 4 N -3.45 3.36 -0.06 5.36 -1.08 -1.26 -5.04 116.67 114.50 2wdg s ASP 4 Ca -0.12 -0.55 -0.21 0.00 -0.52 0.00 0.00 52.55 51.14 2wdg s ASP 4 Cb 0.01 -1.50 -0.16 0.00 -1.46 0.00 0.00 42.92 39.80 2wdg s ASP 4 CO 0.36 0.07 0.86 -0.65 0.52 0.00 0.00 175.17 176.33 2wdg h PRO 5 N 7.40 -0.16 -0.79 4.34 0.11 -1.99 -3.11 132.00 137.80 2wdg h PRO 5 Ca -0.34 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.88 2wdg h PRO 5 Cb 1.18 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 2wdg h PRO 5 CO 0.57 0.31 -0.47 0.82 -0.21 0.00 0.00 178.00 179.02 2wdg h ILE 6 N -0.85 0.04 -0.70 4.15 5.03 -2.00 0.30 117.51 123.49 2wdg h ILE 6 Ca -0.02 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.77 2wdg h ILE 6 Cb 0.55 0.04 -0.05 0.00 -3.03 0.00 0.00 36.82 34.33 2wdg h ILE 6 CO 0.03 0.00 0.42 0.00 -0.68 0.00 0.00 178.15 177.92 2wdg h ALA 7 N 0.73 0.92 -0.22 1.87 0.00 -1.98 -1.40 119.26 119.18 2wdg h ALA 7 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wdg h ALA 7 Cb 0.53 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2wdg h ALA 7 CO -0.83 0.15 -0.32 0.22 0.00 0.00 0.00 179.25 178.48 2wdg h ASP 8 N 0.80 -1.05 -0.17 0.00 3.58 -0.37 0.39 116.42 119.59 2wdg h ASP 8 Ca 0.29 0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.92 2wdg h ASP 8 Cb 0.09 0.43 -0.07 0.00 1.72 0.00 0.00 39.33 41.50 2wdg h ASP 8 CO -0.14 -0.23 -0.47 -0.03 -2.88 0.00 0.00 179.24 175.49 2wdg h MET 9 N -0.23 -0.48 -0.94 0.28 4.05 -1.04 0.74 114.93 117.31 2wdg h MET 9 Ca 0.04 0.03 0.26 0.00 -0.28 0.00 0.00 59.70 59.75 2wdg h MET 9 Cb 0.34 0.11 -0.14 0.00 -0.80 0.00 0.00 31.60 31.11 2wdg h MET 9 CO -0.33 -0.32 0.43 -0.07 0.23 0.00 0.00 176.91 176.84 2wdg h LEU 10 N -0.50 0.33 0.05 3.39 3.38 -0.56 0.21 115.31 121.62 2wdg h LEU 10 Ca 0.07 0.18 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 2wdg h LEU 10 Cb 0.64 0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.57 2wdg h LEU 10 CO -0.44 -0.08 -0.66 0.74 0.09 0.00 0.00 178.44 178.08 2wdg h THR 11 N 0.34 1.46 -0.81 0.22 2.02 0.16 -2.24 112.91 114.06 2wdg h THR 11 Ca 0.63 -2.24 0.15 0.00 0.77 0.00 0.00 66.41 65.72 2wdg h THR 11 Cb 1.30 2.82 -0.10 0.00 -1.74 0.00 0.00 68.15 70.44 2wdg h THR 11 CO -0.59 0.64 0.37 -0.09 0.37 0.00 0.00 175.52 176.23 2wdg h ARG 12 N -0.22 0.51 0.57 6.66 2.43 0.19 0.28 114.38 124.81 2wdg h ARG 12 Ca -0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2wdg h ARG 12 Cb 1.42 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2wdg h ARG 12 CO 0.13 0.34 -0.38 0.82 -1.51 0.00 0.00 179.97 179.36 2wdg h ILE 13 N 0.52 0.00 -0.78 1.20 2.04 -0.67 -2.14 117.51 117.68 2wdg h ILE 13 Ca 0.45 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.47 2wdg h ILE 13 Cb 0.68 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.61 2wdg h ILE 13 CO -0.39 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 177.52 2wdg h ARG 14 N -0.91 0.02 0.00 2.37 2.43 -0.48 0.26 114.38 118.07 2wdg h ARG 14 Ca -0.08 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2wdg h ARG 14 Cb 0.74 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2wdg h ARG 14 CO 0.06 0.01 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.45 2wdg h ASN 15 N 0.02 0.00 0.26 -3.80 2.35 -0.41 -2.00 115.58 112.00 2wdg h ASN 15 Ca 0.39 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 2wdg h ASN 15 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2wdg h ASN 15 CO -0.78 0.17 -0.13 0.00 -1.65 0.00 0.00 177.43 175.04 2wdg h ALA 16 N 1.83 -0.39 -0.36 -0.83 0.00 0.14 -3.28 119.26 116.37 2wdg h ALA 16 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2wdg h ALA 16 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wdg h ALA 16 CO 0.02 -0.36 0.42 1.79 0.00 0.00 0.00 179.25 181.12 2wdg h THR 17 N -0.97 0.34 0.00 0.00 1.35 -1.16 0.03 112.91 112.50 2wdg h THR 17 Ca -0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.73 2wdg h THR 17 Cb 0.27 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2wdg h THR 17 CO 0.06 0.00 -0.43 0.03 -0.25 0.00 0.00 175.52 174.93 2wdg h ARG 18 N 0.00 0.00 -0.40 4.72 -0.00 -1.42 -2.69 114.38 114.59 2wdg h ARG 18 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 2wdg h ARG 18 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 2wdg h ARG 18 CO -0.00 0.43 0.00 1.33 0.00 0.00 0.00 179.97 181.73 2wdg n VAL 19 N -4.00 0.84 -2.45 2.04 0.24 -0.07 -5.04 118.33 109.88 2wdg n VAL 19 Ca -0.02 -0.92 -0.02 0.00 -2.04 0.00 0.00 64.34 61.34 2wdg n VAL 19 Cb 0.46 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2wdg n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wdg n TYR 20 N 0.89 -4.24 -3.89 6.34 4.01 -0.77 -5.05 117.16 114.45 2wdg n TYR 20 Ca 0.15 2.50 -0.11 0.00 -0.16 0.00 0.00 57.90 60.28 2wdg n TYR 20 Cb 0.47 -3.58 -0.11 0.00 -0.31 0.00 0.00 39.34 35.81 2wdg n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wdg s LYS 21 N -0.56 0.34 0.00 -0.72 2.20 -1.24 -4.97 119.74 114.79 2wdg s LYS 21 Ca -0.10 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2wdg s LYS 21 Cb 0.01 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2wdg s LYS 21 CO 0.27 -0.07 0.92 -1.91 -0.36 0.00 0.00 175.35 174.21 2wdg n GLU 22 N 1.92 0.00 -3.61 4.03 4.07 -1.26 -4.41 120.64 121.38 2wdg n GLU 22 Ca -0.20 0.92 -0.08 0.00 -0.06 0.00 0.00 57.16 57.74 2wdg n GLU 22 Cb 0.56 -1.42 -0.06 0.00 -0.06 0.00 0.00 31.44 30.46 2wdg n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wdg s SER 23 N -2.98 -0.29 0.31 4.31 1.04 -1.26 -2.19 113.70 112.64 2wdg s SER 23 Ca 0.00 0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.93 2wdg s SER 23 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2wdg s SER 23 CO 0.00 -0.19 0.26 -0.89 0.98 0.00 0.00 173.24 173.39 2wdg s THR 24 N -0.57 3.77 0.47 2.02 2.01 -1.20 -4.87 115.64 117.26 2wdg s THR 24 Ca 0.03 -1.39 0.07 0.00 0.31 0.00 0.00 61.69 60.71 2wdg s THR 24 Cb -0.02 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2wdg s THR 24 CO -0.04 -0.22 0.44 -1.81 -0.69 0.00 0.00 174.62 172.29 2wdg s ASP 25 N -3.95 4.96 -0.27 3.53 1.11 -1.26 -1.51 116.67 119.29 2wdg s ASP 25 Ca 0.39 -0.88 -0.24 0.00 0.18 0.00 0.00 52.55 52.00 2wdg s ASP 25 Cb -0.06 -0.21 0.08 0.00 1.07 0.00 0.00 42.92 43.80 2wdg s ASP 25 CO 0.26 -0.86 0.74 0.54 1.18 0.00 0.00 175.17 177.03 2wdg s VAL 26 N -2.57 0.00 0.26 -1.27 0.11 -0.95 -4.89 120.40 111.09 2wdg s VAL 26 Ca 0.46 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.21 2wdg s VAL 26 Cb -0.03 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.69 2wdg s VAL 26 CO 0.28 0.00 1.41 -2.65 -3.33 0.00 0.00 175.10 170.81 2wdg n PRO 27 N 2.88 2.12 -1.69 1.54 -0.02 -1.26 -0.52 135.00 138.05 2wdg n PRO 27 Ca -0.15 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2wdg n PRO 27 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2wdg n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdg n ALA 28 N 1.73 1.23 -3.40 3.55 0.00 0.48 -4.81 120.51 119.29 2wdg n ALA 28 Ca 0.10 0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.88 2wdg n ALA 28 Cb 0.33 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 2wdg n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdg s SER 29 N -0.41 -0.65 0.15 0.00 0.15 -1.26 -5.01 113.70 106.68 2wdg s SER 29 Ca 0.58 0.84 -0.30 0.00 0.70 0.00 0.00 55.95 57.77 2wdg s SER 29 Cb -0.55 1.72 -0.07 0.00 -1.71 0.00 0.00 66.02 65.41 2wdg s SER 29 CO 0.60 -0.12 1.51 -0.09 1.20 0.00 0.00 173.24 176.35 2wdg h ARG 30 N 7.59 -0.02 -0.79 5.44 2.43 -2.00 0.52 114.38 127.54 2wdg h ARG 30 Ca -0.16 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2wdg h ARG 30 Cb 1.12 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.59 2wdg h ARG 30 CO 0.08 -0.02 0.39 0.35 -1.51 0.00 0.00 179.97 179.27 2wdg h PHE 31 N -0.02 0.69 -0.11 2.20 3.57 -1.99 -1.82 116.94 119.46 2wdg h PHE 31 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2wdg h PHE 31 Cb 0.40 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2wdg h PHE 31 CO -1.01 0.19 -0.20 0.87 -2.23 0.00 0.00 178.31 175.94 2wdg h LYS 32 N 0.61 -0.26 0.03 1.11 1.57 -0.39 -2.53 116.57 116.71 2wdg h LYS 32 Ca 0.41 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.24 2wdg h LYS 32 Cb 0.53 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2wdg h LYS 32 CO -0.33 -0.17 -0.32 0.93 -0.57 0.00 0.00 179.45 178.99 2wdg h GLU 33 N -0.27 -0.48 -1.66 3.15 5.08 -0.42 -1.18 114.58 118.80 2wdg h GLU 33 Ca 0.09 0.03 0.50 0.00 -1.00 0.00 0.00 59.36 58.99 2wdg h GLU 33 Cb 0.40 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 2wdg h GLU 33 CO -0.26 -0.32 1.16 0.39 -1.00 0.00 0.00 179.01 178.98 2wdg n GLU 34 N -5.42 -0.01 -0.05 2.33 -0.58 -0.83 0.51 120.64 116.60 2wdg n GLU 34 Ca -0.05 1.05 -0.10 0.00 -0.42 0.00 0.00 57.16 57.64 2wdg n GLU 34 Cb 0.33 -2.31 -0.09 0.00 -0.57 0.00 0.00 31.44 28.80 2wdg n GLU 34 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wdg h ILE 35 N 0.00 1.22 -0.69 -3.67 2.04 -1.00 -3.23 117.51 112.19 2wdg h ILE 35 Ca 0.85 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.91 2wdg h ILE 35 Cb 3.23 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 41.54 2wdg h ILE 35 CO -0.15 0.40 0.43 -0.07 0.00 0.00 0.00 178.15 178.76 2wdg h LEU 36 N -0.97 0.70 -1.17 1.44 3.38 -0.25 0.80 115.31 119.25 2wdg h LEU 36 Ca -0.00 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.27 2wdg h LEU 36 Cb 0.67 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 2wdg h LEU 36 CO 0.00 0.49 0.65 -0.09 0.09 0.00 0.00 178.44 179.58 2wdg h ARG 37 N 0.84 0.37 0.00 1.13 2.43 -0.06 1.02 114.38 120.10 2wdg h ARG 37 Ca 0.28 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.20 2wdg h ARG 37 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2wdg h ARG 37 CO -0.11 0.24 -1.16 0.82 -1.51 0.00 0.00 179.97 178.25 2wdg h ILE 38 N 0.38 1.43 -0.19 1.20 2.04 -0.97 -2.07 117.51 119.32 2wdg h ILE 38 Ca 0.68 -3.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.37 2wdg h ILE 38 Cb 1.64 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.41 2wdg h ILE 38 CO -0.45 0.81 0.06 -0.07 0.00 0.00 0.00 178.15 178.50 2wdg h LEU 39 N 0.00 0.27 0.06 1.44 -0.00 0.30 -2.88 115.31 114.51 2wdg h LEU 39 Ca -0.08 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2wdg h LEU 39 Cb 1.81 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 2wdg h LEU 39 CO 0.11 0.40 -0.03 0.00 -0.00 0.00 0.00 178.44 178.92 2wdg h ALA 40 N 0.88 -0.08 0.00 1.53 0.00 -0.61 -0.80 119.26 120.18 2wdg h ALA 40 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wdg h ALA 40 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wdg h ALA 40 CO -0.00 -0.23 0.06 -2.13 0.00 0.00 0.00 179.25 176.94 2wdg n ARG 41 N -4.84 0.00 -0.03 0.00 0.63 -0.78 0.18 116.66 111.82 2wdg n ARG 41 Ca -0.08 0.07 0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2wdg n ARG 41 Cb 0.29 -1.56 0.01 0.00 0.45 0.00 0.00 32.46 31.66 2wdg n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdg n GLU 42 N -0.90 1.49 -3.15 -0.14 -0.58 -1.09 -5.02 120.64 111.25 2wdg n GLU 42 Ca 0.00 -1.11 -0.15 0.00 -0.42 0.00 0.00 57.16 55.48 2wdg n GLU 42 Cb 0.06 -0.79 0.06 0.00 -0.57 0.00 0.00 31.44 30.20 2wdg n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdg n GLY 43 N -0.31 -0.12 0.01 0.62 0.00 0.49 -4.93 105.19 100.94 2wdg n GLY 43 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2wdg n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdg n PHE 44 N -3.76 0.00 -3.82 1.61 3.72 -0.32 -4.98 117.46 109.91 2wdg n PHE 44 Ca -0.10 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.18 2wdg n PHE 44 Cb 0.58 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 2wdg n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wdg s ILE 45 N -3.05 0.07 0.12 4.37 -4.36 -1.25 -4.12 121.20 112.98 2wdg s ILE 45 Ca -0.06 -0.59 -0.20 0.00 -0.26 0.00 0.00 60.65 59.54 2wdg s ILE 45 Cb 0.10 -0.52 -0.07 0.00 1.25 0.00 0.00 42.46 43.22 2wdg s ILE 45 CO 0.66 -0.32 1.74 0.11 0.24 0.00 0.00 174.94 177.37 2wdg h LYS 46 N 4.10 0.10 0.00 0.37 1.57 -1.56 -3.39 116.57 117.76 2wdg h LYS 46 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2wdg h LYS 46 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2wdg h LYS 46 CO 0.40 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 2wdg n GLY 47 N -1.15 -1.67 3.16 3.86 0.00 -1.19 -4.95 105.19 103.25 2wdg n GLY 47 Ca -0.04 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2wdg n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdg s TYR 48 N -2.57 0.84 -0.19 1.61 -0.85 -1.25 0.56 117.35 115.50 2wdg s TYR 48 Ca 0.00 -0.97 -0.17 0.00 -0.52 0.00 0.00 57.07 55.41 2wdg s TYR 48 Cb 0.00 -0.50 0.05 0.00 0.38 0.00 0.00 41.96 41.89 2wdg s TYR 48 CO 0.00 -0.22 0.50 -1.83 -1.52 0.00 0.00 175.55 172.48 2wdg s GLU 49 N -3.87 0.58 -0.56 -3.49 -1.05 -0.85 -4.93 118.70 104.54 2wdg s GLU 49 Ca 0.12 0.72 -0.27 0.00 -0.15 0.00 0.00 54.97 55.39 2wdg s GLU 49 Cb 0.06 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2wdg s GLU 49 CO -0.05 -0.08 1.66 1.03 0.95 0.00 0.00 175.26 178.78 2wdg s ARG 50 N 0.35 2.99 0.00 -4.83 0.52 -1.26 -0.64 118.95 116.08 2wdg s ARG 50 Ca -0.01 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 2wdg s ARG 50 Cb -0.04 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.17 2wdg s ARG 50 CO -0.00 -2.30 0.00 1.33 0.02 0.00 0.00 175.30 174.35 2wdg n VAL 51 N 7.06 0.00 -3.47 3.52 0.24 -1.19 -4.97 118.33 119.52 2wdg n VAL 51 Ca 0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.34 2wdg n VAL 51 Cb 0.50 -1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 2wdg n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wdg s ASP 52 N -1.00 -0.52 -0.28 -1.34 1.11 -1.26 -2.95 116.67 110.43 2wdg s ASP 52 Ca 0.00 0.03 -0.01 0.00 0.18 0.00 0.00 52.55 52.75 2wdg s ASP 52 Cb 0.00 0.57 0.17 0.00 1.07 0.00 0.00 42.92 44.73 2wdg s ASP 52 CO 0.00 -0.90 0.52 -0.69 1.18 0.00 0.00 175.17 175.28 2wdg s VAL 53 N -3.42 -0.85 -1.62 -1.27 1.01 0.79 -4.88 120.40 110.16 2wdg s VAL 53 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2wdg s VAL 53 Cb -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2wdg s VAL 53 CO -0.10 -0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.41 2wdg n ASP 54 N 5.40 -5.40 0.00 3.32 8.00 -1.26 -0.56 116.55 126.05 2wdg n ASP 54 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2wdg n ASP 54 Cb 0.51 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 2wdg n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdg n GLY 55 N -0.94 2.91 3.63 0.44 0.00 -1.26 -5.03 105.19 104.94 2wdg n GLY 55 Ca -0.22 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2wdg n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdg s LYS 56 N 0.00 3.65 -0.42 1.61 1.02 0.28 -4.96 119.74 120.92 2wdg s LYS 56 Ca 0.00 1.91 -0.29 0.00 0.02 0.00 0.00 55.97 57.61 2wdg s LYS 56 Cb 0.00 -4.16 0.02 0.00 -0.52 0.00 0.00 37.83 33.17 2wdg s LYS 56 CO 0.00 -1.49 1.10 -1.25 -0.92 0.00 0.00 175.35 172.79 2wdg s PRO 57 N 5.15 3.85 0.00 -1.68 0.04 -1.26 -0.15 135.00 140.95 2wdg s PRO 57 Ca 0.83 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2wdg s PRO 57 Cb -0.30 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2wdg s PRO 57 CO 0.33 -1.19 0.00 0.66 0.04 0.00 0.00 177.00 176.85 2wdg n TYR 58 N 7.43 -0.25 -3.63 0.56 4.02 -1.15 -0.39 117.16 123.76 2wdg n TYR 58 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.89 2wdg n TYR 58 Cb 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.69 2wdg n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wdg s LEU 59 N 0.00 -0.41 -0.59 7.72 1.43 0.32 -3.20 118.68 123.95 2wdg s LEU 59 Ca 0.00 0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 2wdg s LEU 59 Cb 0.00 0.90 0.04 0.00 0.03 0.00 0.00 46.19 47.16 2wdg s LEU 59 CO 0.00 -0.25 1.02 -0.13 0.23 0.00 0.00 176.35 177.22 2wdg s ARG 60 N 2.48 3.31 -0.65 1.70 1.81 0.19 -2.23 118.95 125.55 2wdg s ARG 60 Ca 0.02 -0.27 -0.18 0.00 -1.72 0.00 0.00 55.73 53.57 2wdg s ARG 60 Cb -0.13 -4.09 0.12 0.00 -0.45 0.00 0.00 34.95 30.40 2wdg s ARG 60 CO -0.10 -1.64 0.76 0.08 -0.68 0.00 0.00 175.30 173.72 2wdg s VAL 61 N 4.31 4.88 -0.25 3.52 1.01 -0.57 -2.00 120.40 131.30 2wdg s VAL 61 Ca 0.31 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2wdg s VAL 61 Cb -0.12 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 2wdg s VAL 61 CO 0.18 -1.17 1.48 -0.31 0.00 0.00 0.00 175.10 175.28 2wdg s TYR 62 N 2.46 2.36 0.55 5.22 2.02 0.19 -3.28 117.35 126.88 2wdg s TYR 62 Ca 0.15 0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 57.38 2wdg s TYR 62 Cb -0.20 -3.94 -0.06 0.00 -0.40 0.00 0.00 41.96 37.36 2wdg s TYR 62 CO 0.03 -2.41 1.01 -0.51 -1.57 0.00 0.00 175.55 172.10 2wdg s LEU 63 N 4.78 3.50 -0.07 -1.29 2.01 -0.93 -1.71 118.68 124.97 2wdg s LEU 63 Ca 0.65 1.57 0.03 0.00 0.01 0.00 0.00 54.13 56.38 2wdg s LEU 63 Cb -0.22 -4.50 0.01 0.00 0.01 0.00 0.00 46.19 41.49 2wdg s LEU 63 CO 0.26 -0.75 -0.16 -0.75 1.01 0.00 0.00 176.35 175.96 2wdg s LYS 64 N -4.36 2.10 0.25 1.70 2.20 -1.26 -4.49 119.74 115.88 2wdg s LYS 64 Ca 0.58 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2wdg s LYS 64 Cb -0.11 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.47 2wdg s LYS 64 CO 0.38 0.11 0.03 0.71 -0.36 0.00 0.00 175.35 176.22 2wdg s TYR 65 N 0.46 1.63 1.01 4.03 1.51 -1.26 -3.43 117.35 121.30 2wdg s TYR 65 Ca -0.14 -0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 54.76 2wdg s TYR 65 Cb -0.16 -0.97 0.22 0.00 -0.11 0.00 0.00 41.96 40.94 2wdg s TYR 65 CO 0.05 -0.10 1.31 0.20 -1.11 0.00 0.00 175.55 175.89 2wdg s GLY 66 N -3.34 1.77 0.46 0.71 0.00 0.64 -4.79 107.32 102.77 2wdg s GLY 66 Ca 0.32 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.71 2wdg s GLY 66 CO 0.11 -0.41 0.86 2.56 0.00 0.00 0.00 173.10 176.22 2wdg s PRO 67 N -5.85 3.79 0.39 2.90 0.04 -1.26 -4.40 135.00 130.60 2wdg s PRO 67 Ca 0.75 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 2wdg s PRO 67 Cb -0.04 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.26 2wdg s PRO 67 CO 0.54 -0.17 0.10 -2.13 0.04 0.00 0.00 177.00 175.38 2wdg n ARG 68 N -1.60 0.88 -3.90 4.56 0.63 -1.26 -4.10 116.66 111.88 2wdg n ARG 68 Ca 0.04 -0.16 -0.08 0.00 -0.92 0.00 0.00 57.85 56.72 2wdg n ARG 68 Cb 0.54 -0.66 -0.02 0.00 0.45 0.00 0.00 32.46 32.77 2wdg n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdg s ARG 69 N -1.72 1.85 0.00 -0.14 0.52 -1.22 -4.78 118.95 113.45 2wdg s ARG 69 Ca 0.07 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2wdg s ARG 69 Cb -0.01 0.57 0.00 0.00 0.52 0.00 0.00 34.95 36.03 2wdg s ARG 69 CO 0.06 -0.83 0.00 1.04 0.02 0.00 0.00 175.30 175.59 2wdg n GLN 70 N -0.47 0.83 -0.31 3.54 1.13 -1.26 -4.53 117.38 116.31 2wdg n GLN 70 Ca -0.04 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.06 2wdg n GLN 70 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.94 2wdg n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdg n GLY 71 N 5.00 -0.52 3.67 1.08 0.00 -1.26 -4.49 105.19 108.67 2wdg n GLY 71 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2wdg n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdg n PRO 72 N -1.37 1.09 -2.71 1.61 -0.02 -1.26 -4.03 135.00 128.32 2wdg n PRO 72 Ca 0.00 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.89 2wdg n PRO 72 Cb 0.14 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2wdg n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wdg n ASP 73 N -1.14 -6.69 -0.70 2.55 4.64 -1.26 -4.86 116.55 109.08 2wdg n ASP 73 Ca 0.14 0.07 0.00 0.00 -1.38 0.00 0.00 54.79 53.62 2wdg n ASP 73 Cb 0.47 -4.48 0.00 0.00 -1.04 0.00 0.00 41.12 36.07 2wdg n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wdg n PRO 74 N -1.29 0.83 -2.55 -0.67 -0.04 -1.26 -4.85 135.00 125.17 2wdg n PRO 74 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2wdg n PRO 74 Cb 0.47 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 2wdg n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdg s ARG 75 N -0.52 4.45 0.93 0.54 0.52 -1.26 -3.44 118.95 120.18 2wdg s ARG 75 Ca 0.00 1.59 -0.10 0.00 -0.52 0.00 0.00 55.73 56.70 2wdg s ARG 75 Cb 0.00 -3.46 0.14 0.00 0.52 0.00 0.00 34.95 32.15 2wdg s ARG 75 CO 0.00 -0.25 1.04 -0.35 0.02 0.00 0.00 175.30 175.76 2wdg n PRO 76 N 4.36 -0.52 -1.49 3.54 -0.04 -1.26 -4.72 135.00 134.86 2wdg n PRO 76 Ca 0.08 -0.09 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 2wdg n PRO 76 Cb 0.48 -2.30 0.19 0.00 -0.04 0.00 0.00 33.50 31.83 2wdg n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdg n GLU 77 N -3.94 -1.60 -4.23 0.54 2.13 -1.26 -4.78 120.64 107.50 2wdg n GLU 77 Ca 0.11 -1.75 -0.19 0.00 0.66 0.00 0.00 57.16 55.98 2wdg n GLU 77 Cb 0.52 -1.27 -0.12 0.00 0.27 0.00 0.00 31.44 30.84 2wdg n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2wdg s GLN 78 N -5.48 0.89 0.38 5.31 -0.21 -1.26 -0.26 119.66 119.02 2wdg s GLN 78 Ca 0.66 -0.94 0.15 0.00 0.02 0.00 0.00 55.36 55.25 2wdg s GLN 78 Cb -0.03 -0.93 0.77 0.00 1.00 0.00 0.00 33.01 33.82 2wdg s GLN 78 CO 0.47 0.21 1.82 0.28 -2.12 0.00 0.00 175.29 175.96 2wdg h VAL 79 N 4.31 1.15 -3.51 1.09 2.07 -1.86 -3.35 116.25 116.15 2wdg h VAL 79 Ca -0.41 -1.29 -0.69 0.00 0.82 0.00 0.00 66.70 65.13 2wdg h VAL 79 Cb 1.19 1.72 -0.36 0.00 -1.52 0.00 0.00 31.29 32.31 2wdg h VAL 79 CO 0.41 0.36 -0.44 -0.63 0.02 0.00 0.00 177.57 177.28 2wdg s ILE 80 N -4.07 3.44 -0.00 4.57 1.01 -1.26 -4.85 121.20 120.03 2wdg s ILE 80 Ca -0.02 -2.87 -0.24 0.00 0.00 0.00 0.00 60.65 57.51 2wdg s ILE 80 Cb 0.14 -3.28 -0.19 0.00 0.01 0.00 0.00 42.46 39.14 2wdg s ILE 80 CO 0.71 -0.83 1.30 0.45 0.00 0.00 0.00 174.94 176.56 2wdg h HIS 81 N 7.10 0.11 -3.24 3.97 3.86 0.10 -3.46 115.15 123.60 2wdg h HIS 81 Ca -0.04 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 58.99 2wdg h HIS 81 Cb 0.96 -0.02 -0.23 0.00 1.06 0.00 0.00 27.41 29.17 2wdg h HIS 81 CO 0.65 0.54 -0.42 -1.58 0.86 0.00 0.00 177.93 177.98 2wdg s HIS 82 N -4.31 -0.16 -0.42 2.45 5.65 0.21 -5.02 115.29 113.70 2wdg s HIS 82 Ca -0.15 0.34 0.04 0.00 0.25 0.00 0.00 55.06 55.53 2wdg s HIS 82 Cb 0.03 0.05 0.17 0.00 -1.18 0.00 0.00 32.58 31.64 2wdg s HIS 82 CO 0.69 -0.23 0.39 -1.50 -0.65 0.00 0.00 174.74 173.45 2wdg s ILE 83 N -0.61 0.03 0.87 0.89 2.07 -1.26 -1.45 121.20 121.75 2wdg s ILE 83 Ca -0.07 -2.12 -0.12 0.00 -1.41 0.00 0.00 60.65 56.94 2wdg s ILE 83 Cb -0.04 -0.98 0.11 0.00 0.13 0.00 0.00 42.46 41.68 2wdg s ILE 83 CO 0.01 -0.95 1.11 -0.60 -1.91 0.00 0.00 174.94 172.61 2wdg s ARG 84 N 0.44 1.49 -0.23 3.50 6.06 -1.10 -4.91 118.95 124.20 2wdg s ARG 84 Ca 0.29 0.51 0.02 0.00 -2.50 0.00 0.00 55.73 54.05 2wdg s ARG 84 Cb -0.02 -1.86 0.05 0.00 0.06 0.00 0.00 34.95 33.18 2wdg s ARG 84 CO -0.13 -2.01 -0.11 0.50 -2.50 0.00 0.00 175.30 171.05 2wdg s ARG 85 N -5.17 2.17 0.00 5.12 3.00 -1.26 -3.63 118.95 119.19 2wdg s ARG 85 Ca 0.63 -1.06 0.00 0.00 -1.00 0.00 0.00 55.73 54.29 2wdg s ARG 85 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.15 2wdg s ARG 85 CO 0.54 -0.48 0.00 -0.89 0.00 0.00 0.00 175.30 174.47 2wdg n ILE 86 N 4.57 0.00 -0.52 4.11 2.08 -0.85 -4.82 119.36 123.94 2wdg n ILE 86 Ca -0.15 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 62.95 2wdg n ILE 86 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.30 2wdg n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2wdg n SER 87 N 0.00 0.35 -4.75 4.38 2.88 -1.02 -4.92 113.62 110.53 2wdg n SER 87 Ca 0.00 0.33 -0.24 0.00 -1.33 0.00 0.00 58.87 57.64 2wdg n SER 87 Cb 0.00 -0.28 -0.07 0.00 -0.75 0.00 0.00 64.21 63.11 2wdg n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wdg s LYS 88 N 1.24 2.30 0.51 -1.46 1.02 -1.16 -4.84 119.74 117.35 2wdg s LYS 88 Ca 0.35 -1.72 0.21 0.00 0.02 0.00 0.00 55.97 54.83 2wdg s LYS 88 Cb -0.48 -2.09 1.33 0.00 -0.52 0.00 0.00 37.83 36.07 2wdg s LYS 88 CO 0.25 -0.06 2.10 -1.00 -0.92 0.00 0.00 175.35 175.72 2wdg h PRO 89 N 1.42 0.00 -0.31 -1.68 0.13 -1.97 -1.85 132.00 127.74 2wdg h PRO 89 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wdg h PRO 89 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2wdg h PRO 89 CO 0.66 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 2wdg n GLY 90 N -1.14 1.03 2.69 1.56 0.00 -1.26 -4.61 105.19 103.46 2wdg n GLY 90 Ca -0.03 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 2wdg n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdg n ARG 91 N 0.90 0.26 -1.19 1.61 0.63 -0.75 -5.16 116.66 112.96 2wdg n ARG 91 Ca 0.17 -1.00 -0.35 0.00 -0.92 0.00 0.00 57.85 55.75 2wdg n ARG 91 Cb 0.46 -0.45 0.09 0.00 0.45 0.00 0.00 32.46 33.01 2wdg n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdg n ARG 92 N 1.92 0.24 -3.79 -0.14 5.12 -0.87 -2.97 116.66 116.16 2wdg n ARG 92 Ca 0.07 0.13 -0.29 0.00 -1.93 0.00 0.00 57.85 55.83 2wdg n ARG 92 Cb 0.67 -2.00 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 2wdg n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wdg s VAL 93 N -1.99 0.96 0.02 1.55 1.01 -1.26 -4.84 120.40 115.85 2wdg s VAL 93 Ca 0.67 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2wdg s VAL 93 Cb -0.32 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wdg s VAL 93 CO 0.57 -0.37 0.12 -0.31 0.00 0.00 0.00 175.10 175.10 2wdg s TYR 94 N 1.62 3.35 -0.07 5.22 2.02 -1.26 -1.06 117.35 127.18 2wdg s TYR 94 Ca 0.02 0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.88 2wdg s TYR 94 Cb -0.18 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2wdg s TYR 94 CO -0.14 0.57 0.18 0.14 -1.57 0.00 0.00 175.55 174.73 2wdg s VAL 95 N -1.31 -0.00 0.71 0.71 -7.23 -0.76 -4.90 120.40 107.61 2wdg s VAL 95 Ca 0.27 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 2wdg s VAL 95 Cb -0.12 -0.26 0.02 0.00 0.56 0.00 0.00 36.38 36.57 2wdg s VAL 95 CO 0.19 0.00 1.07 -0.83 -0.31 0.00 0.00 175.10 175.22 2wdg s GLY 96 N 0.15 1.65 0.30 2.32 0.00 -1.26 -1.99 107.32 108.48 2wdg s GLY 96 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.65 2wdg s GLY 96 CO -0.00 0.23 1.68 -0.24 0.00 0.00 0.00 173.10 174.77 2wdg h VAL 97 N -0.73 0.42 0.00 1.40 3.04 -1.91 0.26 116.25 118.73 2wdg h VAL 97 Ca -0.45 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2wdg h VAL 97 Cb 1.23 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2wdg h VAL 97 CO 0.60 0.07 0.00 0.29 -1.01 0.00 0.00 177.57 177.52 2wdg n LYS 98 N -5.07 0.62 -0.00 4.17 5.02 -1.26 -3.21 118.16 118.43 2wdg n LYS 98 Ca 0.24 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 2wdg n LYS 98 Cb 0.72 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2wdg n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wdg n GLU 99 N -0.75 2.49 -1.68 1.97 1.02 0.90 -5.00 120.64 119.60 2wdg n GLU 99 Ca 0.07 -0.01 -0.56 0.00 -0.02 0.00 0.00 57.16 56.64 2wdg n GLU 99 Cb 0.03 -0.89 -0.07 0.00 -0.02 0.00 0.00 31.44 30.50 2wdg n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdg n ILE 100 N -1.38 0.22 -1.36 -3.67 5.41 -1.20 -4.89 119.36 112.50 2wdg n ILE 100 Ca -0.00 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.42 2wdg n ILE 100 Cb 0.06 -1.10 0.15 0.00 -0.71 0.00 0.00 39.64 38.04 2wdg n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wdg s PRO 101 N 2.69 0.84 -0.38 0.38 0.02 -1.26 -5.05 135.00 132.24 2wdg s PRO 101 Ca 0.95 0.41 -0.03 0.00 0.02 0.00 0.00 61.00 62.35 2wdg s PRO 101 Cb -1.04 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 31.78 2wdg s PRO 101 CO 0.61 -2.43 0.16 1.03 -0.33 0.00 0.00 177.00 176.04 2wdg s ARG 102 N -5.12 2.16 -0.21 5.54 0.52 -1.26 -4.88 118.95 115.70 2wdg s ARG 102 Ca 0.64 -1.65 -0.28 0.00 -0.52 0.00 0.00 55.73 53.92 2wdg s ARG 102 Cb -0.17 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wdg s ARG 102 CO 0.55 -0.95 1.00 0.08 0.02 0.00 0.00 175.30 176.00 2wdg s VAL 103 N 1.20 4.73 -1.19 3.52 1.01 -1.26 -3.82 120.40 124.59 2wdg s VAL 103 Ca 0.05 1.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 2wdg s VAL 103 Cb -0.22 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2wdg s VAL 103 CO -0.03 -0.13 1.02 -1.14 0.00 0.00 0.00 175.10 174.82 2wdg n ARG 104 N 6.04 -6.80 -0.38 2.72 3.00 -1.26 0.08 116.66 120.05 2wdg n ARG 104 Ca 0.10 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 2wdg n ARG 104 Cb 0.47 -5.62 0.00 0.00 0.00 0.00 0.00 32.46 27.31 2wdg n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdg n ARG 105 N -4.31 -1.49 0.00 -0.14 5.12 -1.25 -1.45 116.66 113.15 2wdg n ARG 105 Ca -0.12 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2wdg n ARG 105 Cb 0.60 -3.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.59 2wdg n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdg n GLY 106 N 0.25 1.05 0.06 -0.13 0.00 -0.93 -5.04 105.19 100.46 2wdg n GLY 106 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2wdg n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdg h LEU 107 N 0.00 -0.03-10.10 0.99 3.38 -1.03 -3.46 115.31 105.05 2wdg h LEU 107 Ca 0.00 -0.37 -0.48 0.00 0.09 0.00 0.00 57.88 57.12 2wdg h LEU 107 Cb 0.00 0.01 0.04 0.00 0.09 0.00 0.00 40.66 40.80 2wdg h LEU 107 CO 0.00 0.35 0.39 -0.83 0.09 0.00 0.00 178.44 178.45 2wdg s GLY 108 N -2.96 2.44 0.69 0.83 0.00 0.11 -4.98 107.32 103.45 2wdg s GLY 108 Ca -0.15 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.19 2wdg s GLY 108 CO 0.66 0.92 0.95 -1.50 0.00 0.00 0.00 173.10 174.12 2wdg s ILE 109 N -2.06 2.05 -0.40 0.90 2.07 -0.04 -4.10 121.20 119.62 2wdg s ILE 109 Ca 0.67 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 2wdg s ILE 109 Cb -0.17 -2.31 0.18 0.00 0.13 0.00 0.00 42.46 40.29 2wdg s ILE 109 CO 0.25 0.00 0.65 0.00 -1.91 0.00 0.00 174.94 173.93 2wdg s ALA 110 N -3.01 -2.48 0.54 1.50 0.00 -1.26 -2.64 121.76 114.41 2wdg s ALA 110 Ca 0.66 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 2wdg s ALA 110 Cb -0.05 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2wdg s ALA 110 CO 0.43 -2.22 1.19 0.42 0.00 0.00 0.00 175.76 175.58 2wdg s ILE 111 N 1.88 2.82 -0.24 0.00 1.01 -0.42 -1.59 121.20 124.66 2wdg s ILE 111 Ca 0.16 0.55 -0.26 0.00 0.00 0.00 0.00 60.65 61.09 2wdg s ILE 111 Cb -0.04 -3.24 0.11 0.00 0.01 0.00 0.00 42.46 39.30 2wdg s ILE 111 CO -0.08 -0.08 0.93 -1.48 0.00 0.00 0.00 174.94 174.24 2wdg s LEU 112 N -3.69 -0.51 -0.14 2.97 0.05 -0.63 -2.13 118.68 114.60 2wdg s LEU 112 Ca 0.72 0.89 -0.14 0.00 0.05 0.00 0.00 54.13 55.65 2wdg s LEU 112 Cb -0.29 2.05 -0.05 0.00 -2.05 0.00 0.00 46.19 45.85 2wdg s LEU 112 CO 0.33 -0.24 0.31 -0.55 -0.55 0.00 0.00 176.35 175.65 2wdg s SER 113 N -0.11 6.48 0.39 1.48 0.15 -0.80 -1.61 113.70 119.69 2wdg s SER 113 Ca 0.00 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.25 2wdg s SER 113 Cb -0.04 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2wdg s SER 113 CO -0.02 0.13 0.07 0.42 1.20 0.00 0.00 173.24 175.04 2wdg s THR 114 N 0.28 1.04 -2.00 6.45 -4.23 -1.05 -0.40 115.64 115.73 2wdg s THR 114 Ca 0.18 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 2wdg s THR 114 Cb -0.13 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.44 2wdg s THR 114 CO 0.05 0.00 1.15 -1.54 -0.54 0.00 0.00 174.62 173.74 2wdg n SER 115 N -1.03 0.00 -2.47 3.99 3.41 -1.26 -1.82 113.62 114.44 2wdg n SER 115 Ca -0.06 -1.08 -0.17 0.00 -0.26 0.00 0.00 58.87 57.29 2wdg n SER 115 Cb 0.66 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 2wdg n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdg n LYS 116 N -0.72 2.63 -0.71 4.33 5.02 -1.26 -5.11 118.16 122.34 2wdg n LYS 116 Ca 0.08 -3.94 0.09 0.00 -2.02 0.00 0.00 58.31 52.52 2wdg n LYS 116 Cb 0.03 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 2wdg n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdg n GLY 117 N -0.46 -2.00 3.65 0.72 0.00 -0.76 -4.79 105.19 101.55 2wdg n GLY 117 Ca 0.27 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2wdg n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 118 N -2.20 3.86 0.42 1.61 1.01 -1.26 -2.53 120.40 121.31 2wdg s VAL 118 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2wdg s VAL 118 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2wdg s VAL 118 CO 0.00 -0.16 0.12 0.18 0.00 0.00 0.00 175.10 175.25 2wdg n LEU 119 N 7.27 0.00 -4.88 3.92 4.77 -0.63 -4.97 117.00 122.48 2wdg n LEU 119 Ca 0.16 -3.12 -0.24 0.00 -0.03 0.00 0.00 56.01 52.78 2wdg n LEU 119 Cb 0.44 0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 42.43 2wdg n LEU 119 CO 0.61 -0.47 0.02 0.42 -1.33 0.00 0.00 177.39 176.63 2wdg s THR 120 N -3.04 2.02 0.25 -5.08 -4.23 -1.26 -1.60 115.64 102.70 2wdg s THR 120 Ca 0.17 -1.46 0.30 0.00 -1.18 0.00 0.00 61.69 59.52 2wdg s THR 120 Cb 0.01 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.67 2wdg s THR 120 CO 0.12 0.00 1.92 -2.24 -0.54 0.00 0.00 174.62 173.88 2wdg h ASP 121 N 0.89 0.00 0.00 3.99 2.03 -1.64 0.93 116.42 122.62 2wdg h ASP 121 Ca -0.38 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.82 2wdg h ASP 121 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2wdg h ASP 121 CO 0.58 0.00 -1.28 0.54 -1.03 0.00 0.00 179.24 178.06 2wdg n ARG 122 N -2.61 0.51 -0.01 4.15 1.74 -1.26 -3.84 116.66 115.33 2wdg n ARG 122 Ca -0.02 0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 57.18 2wdg n ARG 122 Cb 0.12 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2wdg n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wdg h GLU 123 N -0.94 -0.21 -0.17 5.56 5.08 -1.94 1.50 114.58 123.47 2wdg h GLU 123 Ca -0.15 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2wdg h GLU 123 Cb 1.08 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2wdg h GLU 123 CO -0.09 -0.14 -0.17 0.00 -1.00 0.00 0.00 179.01 177.61 2wdg h ALA 124 N 0.83 -0.07 0.24 3.43 0.00 -1.07 0.28 119.26 122.90 2wdg h ALA 124 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wdg h ALA 124 Cb 0.37 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wdg h ALA 124 CO -0.27 -0.61 -0.24 -0.09 0.00 0.00 0.00 179.25 178.03 2wdg h ARG 125 N -0.20 -0.46 -0.99 0.00 2.43 -1.30 -2.60 114.38 111.26 2wdg h ARG 125 Ca 0.11 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.51 2wdg h ARG 125 Cb 0.36 0.11 -0.19 0.00 -0.42 0.00 0.00 29.97 29.83 2wdg h ARG 125 CO -0.29 -0.31 -0.25 -0.22 -1.51 0.00 0.00 179.97 177.39 2wdg h LYS 126 N -0.48 -0.00 0.00 0.20 3.64 0.24 1.53 116.57 121.70 2wdg h LYS 126 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wdg h LYS 126 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2wdg h LYS 126 CO -0.03 -0.00 0.00 1.25 -2.27 0.00 0.00 179.45 178.40 2wdg h LEU 127 N -0.00 0.00 -1.85 5.20 7.12 -0.22 -3.46 115.31 122.09 2wdg h LEU 127 Ca 0.47 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.43 2wdg h LEU 127 Cb 0.72 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.87 2wdg h LEU 127 CO -1.02 0.00 -0.10 0.61 -0.13 0.00 0.00 178.44 177.80 2wdg n GLY 128 N -1.10 0.38 0.26 3.75 0.00 0.52 -5.07 105.19 103.92 2wdg n GLY 128 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 2wdg n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdg n VAL 129 N -1.56 0.00 -3.71 1.61 0.24 -1.04 -4.98 118.33 108.89 2wdg n VAL 129 Ca -0.03 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 2wdg n VAL 129 Cb 0.52 0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.96 2wdg n VAL 129 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wdg s GLY 130 N -1.19 -0.26 0.00 7.63 0.00 -1.26 -3.51 107.32 108.72 2wdg s GLY 130 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2wdg s GLY 130 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.75 2wdg n GLY 131 N -0.43 0.76 3.55 0.20 0.00 -0.84 -4.54 105.19 103.88 2wdg n GLY 131 Ca -0.07 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2wdg n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdg s GLU 132 N 1.05 2.74 -0.40 1.61 2.12 0.47 -1.83 118.70 124.46 2wdg s GLU 132 Ca 0.00 0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 2wdg s GLU 132 Cb 0.00 -4.57 -0.09 0.00 0.26 0.00 0.00 34.13 29.73 2wdg s GLU 132 CO 0.00 -2.77 2.31 -0.11 -0.54 0.00 0.00 175.26 174.15 2wdg n LEU 133 N 12.34 2.38 0.07 2.70 0.00 -0.22 -1.90 117.00 132.37 2wdg n LEU 133 Ca 0.23 0.07 -0.22 0.00 0.00 0.00 0.00 56.01 56.10 2wdg n LEU 133 Cb 0.50 -1.42 -0.15 0.00 0.00 0.00 0.00 43.42 42.36 2wdg n LEU 133 CO 0.68 -0.95 -0.10 0.40 0.00 0.00 0.00 177.39 177.42 2wdg h ILE 134 N 7.36 1.38 0.00 1.96 1.08 -1.77 -2.70 117.51 124.82 2wdg h ILE 134 Ca -0.29 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.62 2wdg h ILE 134 Cb 1.28 3.10 0.00 0.00 -3.07 0.00 0.00 36.82 38.13 2wdg h ILE 134 CO 1.07 0.75 0.00 0.00 -0.69 0.00 0.00 178.15 179.27 2wdg s GLU 136 N -2.00 1.25 -0.05 0.00 -1.05 -1.24 -1.30 118.70 114.31 2wdg s GLU 136 Ca 0.00 -1.34 -0.16 0.00 -0.15 0.00 0.00 54.97 53.32 2wdg s GLU 136 Cb 0.00 -1.41 0.03 0.00 -0.44 0.00 0.00 34.13 32.31 2wdg s GLU 136 CO 0.00 0.30 0.36 0.08 0.95 0.00 0.00 175.26 176.96 2wdg s VAL 137 N -1.72 0.04 0.00 1.83 1.01 -1.08 -2.72 120.40 117.76 2wdg s VAL 137 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2wdg s VAL 137 Cb -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2wdg s VAL 137 CO 0.06 -0.17 0.00 -2.67 0.00 0.00 0.00 175.10 172.32